Dichlorobis(tricyclohexylphosphine)palladium(II)

C₃₆H₆₆Cl₂P₂PdCAS 29934-17-6738.19 g/mol

Open in Covalent MOL file

Phosphine

Properties

Molecular formula: C₃₆H₆₆Cl₂P₂Pd
Molar mass: 738.19 g/mol
Exact mass: 736.3052 Da
logP: 14.31Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed14.3% of notifiers
H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation85.7% of notifiers
H413 May cause long lasting harmful effects to aquatic life14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

29934-17-6

SMILES

C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.Cl[Pd]Cl

InChIKey

VUYVXCJTTQJVKJ-UHFFFAOYSA-L

InChI

InChI=1S/2C18H33P.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*16-18H,1-15H2;2*1H;/q;;;;+2/p-2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Dichlorobis(tricyclohexylphosphine)palladium(II)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tricyclohexylphosphine2622-14-2Parent compound Bis(tricyclohexylphosphine)nickel(II) Dichloride19999-87-2Salt Tricyclohexylphosphonium tetrafluoroborate58656-04-5Salt

Similar compounds

Tricyclopentylphosphine7650-88-661 % similar Bis(tricyclohexylphosphine)palladium(0)33309-88-557 % similar Chlorodicyclohexylphosphine16523-54-943 % similar Bis(dicyclohexylphosphino)methane137349-65-639 % similar 1,2-Bis(dicyclohexylphosphino)ethane23743-26-239 % similar 1,3-Bis(dicyclohexylphosphino)propane103099-52-138 % similar Di-tert-butylcyclohexylphosphine436865-11-133 % similar trans-Dichlorobis(triethylphosphine)palladium(II)28425-04-932 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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